N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

C18H17BrN4O — CID 16588035

IUPACN-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)nc1
InChIInChI=1S/C18H17BrN4O/c19-15-2-1-3-16(10-15)22-18(24)14-6-8-23(9-7-14)17-5-4-13(11-20)12-21-17/h1-5,10,12,14H,6-9H2,(H,22,24)
InChIKeyYJGUNJRLWDPJPN-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.57
Rot. Bonds3

About N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 16588035) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
PubChem CID16588035
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC NameN-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)nc1
InChIInChI=1S/C18H17BrN4O/c19-15-2-1-3-16(10-15)22-18(24)14-6-8-23(9-7-14)17-5-4-13(11-20)12-21-17/h1-5,10,12,14H,6-9H2,(H,22,24)
InChIKeyYJGUNJRLWDPJPN-UHFFFAOYSA-N
XLogP3.57
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 46699660
1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46509482
1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 46432232
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 30135877
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 30840445
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (CID 16588035) is N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)nc1.
What is the InChIKey of N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is YJGUNJRLWDPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c19-15-2-1-3-16(10-15)22-18(24)14-6-8-23(9-7-14)17-5-4-13(11-20)12-21-17/h1-5,10,12,14H,6-9H2,(H,22,24).
What are the key properties of N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 385.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 16588035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).